4X5M

Crystal structure of SemiSWEET in the inward-open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-19
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	53.680, 102.120, 58.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.515 - 2.000
R-factor	0.1992
Rwork	0.197
R-free	0.22380
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.639
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge		0.018
Number of reflections	22575
<I/σ(I)>	17.7	2
Completeness [%]	99.9	100
Redundancy	19.53	18.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	28% PEG550MME, 100 mM Tris-HCl (pH 8.0), 350 mM MgSO4, 3% galactose